3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide

C22H23N3O2 — CID 3665065

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2ccccn2)c1C
InChIInChI=1S/C22H23N3O2/c1-16-20(17(2)26)14-21(18-8-4-3-5-9-18)25(16)13-11-22(27)24-15-19-10-6-7-12-23-19/h3-10,12,14H,11,13,15H2,1-2H3,(H,24,27)
InChIKeyXRRKVHSSBWFGHV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.77
Rot. Bonds7

About 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3665065) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3665065
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2ccccn2)c1C
InChIInChI=1S/C22H23N3O2/c1-16-20(17(2)26)14-21(18-8-4-3-5-9-18)25(16)13-11-22(27)24-15-19-10-6-7-12-23-19/h3-10,12,14H,11,13,15H2,1-2H3,(H,24,27)
InChIKeyXRRKVHSSBWFGHV-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide
CID 3394798
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(3-bromophenyl)methyl]acetamide
CID 20885262
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-(pyridin-2-ylmethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 15996984
1-(pyridin-2-ylmethyl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea
CID 15342484
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 3665065) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide is CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2ccccn2)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is XRRKVHSSBWFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-20(17(2)26)14-21(18-8-4-3-5-9-18)25(16)13-11-22(27)24-15-19-10-6-7-12-23-19/h3-10,12,14H,11,13,15H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3665065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).